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2-Hydroxy-4-oxopentanoic Acid

CAT: 0572-TRC-H943840-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H943840-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
54031-97-9
Synonyms
Acetolactic Acid; β-Acetolactic Acid; 2-hydroxy-levulinic acid; DTXSID60435556; CHEBI:173533; a-Hydroxylevulinic acid; a-Hydroxy-b-acetylpropionic acid; 2-Hydroxy-4-oxovaleric acid; SCHEMBL163737
Hazard Statement
No Data Available
Smiles
O=C(O)C(O)CC(C)=O
Molecular Formula
C5H8O4
Molecular Weight
132.11
InChI
InChI=1S/C5H8O4/c1-3(6)2-4(7)5(8)9/h4,7H,2H2,1H3,(H,8,9)
Additionnal Information
IUPAC name: 2-hydroxy-4-oxopentanoic acid
Shipping Conditions
Room Temperature

Chemical Information

2-Hydroxy-4-oxopentanoic acid

2-Hydroxy-4-oxopentanoic acid is an oxo carboxylic acid.

CAS Number54031-97-9
PubChem CID10103208
IUPAC Name2-hydroxy-4-oxopentanoic acid
Molecular FormulaC5H8O4
Molecular Weight132.11
XLogP-1.2
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity129
SMILES
CC(=O)CC(C(=O)O)O
InChI
InChI=1S/C5H8O4/c1-3(6)2-4(7)5(8)9/h4,7H,2H2,1H3,(H,8,9)
InChIKey
QTSNVMMGKAPSRT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-4-oxopentanoic acid
CAS: 54031-97-9
CID: 10103208
Formula: C5H8O4
MW: 132.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.11
XLogP3-1.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass132.04225873
Monoisotopic Mass132.04225873
Topological Polar Surface Area74.6 Ų
Heavy Atom Count9
Formal Charge0
Complexity129
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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